Transfer Learning: Making Retrosynthetic Predictions Based on a Small Chemical Reaction Dataset Scale to a New Level

Effective computational prediction of complex or novel molecule syntheses can greatly help organic and medicinal chemistry. Retrosynthetic analysis is a method employed by chemists to predict synthetic routes to target compounds. The target compounds are incrementally converted into simpler compound...

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Detalles Bibliográficos
Autores principales: Bai, Renren, Zhang, Chengyun, Wang, Ling, Yao, Chuansheng, Ge, Jiamin, Duan, Hongliang
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2020
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7287934/
https://www.ncbi.nlm.nih.gov/pubmed/32438572
http://dx.doi.org/10.3390/molecules25102357

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7287934/
https://www.ncbi.nlm.nih.gov/pubmed/32438572
http://dx.doi.org/10.3390/molecules25102357

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